(1s 2 2s 2 2p 4 4d 1 ) 2 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4d- electron | |
| 1 | 3d | 2.526417 | 1.42030633 |
| 2 | 4d | 2.261745 | -1.94497373 |
| 3 | 3d | 7.973921 | .02665298 |
| 4 | 4d | 5.601345 | .02612969 |
| 5 | 5d | 26.046888 | -.00008840 |
| ORB.ENERGY,a.u. | -2.584500 | ||
| NORM | 1.000001 | < R > | 2.267155 | < R2 > | 5.899949 | < 1/R > | .589520 | < 1/R**2 > | .579536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.033934 | 1.13989412 |
| 2 | 3p | 6.838018 | -.21717957 |
| 3 | 2p | 12.816451 | .07441582 |
| 4 | 4p | 15.089641 | .01211627 |
| 5 | 5p | 42.798617 | -.00012653 |
| 6 | 5p | 6.482522 | -.00262574 |
| ORB.ENERGY,a.u. | -16.006000 | ||
| NORM | 1.000000 | < R > | .374265 | < R2 > | .171289 | < 1/R > | 3.417549 | < 1/R**2 > | 16.015776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.487462 | .40543502 |
| 2 | 2s | 7.285017 | -.85581779 |
| 3 | 3s | 6.736160 | -.30061365 |
| 4 | 4s | 18.008743 | .00594670 |
| 5 | 3s | 19.721390 | .00829636 |
| 6 | 5s | 37.002916 | .00056758 |
| 7 | 5s | 5.653321 | -.00260962 |
| 8 | 4s | 3.667119 | .00063177 |
| 9 | 2s | 96.226906 | .00000520 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420940 | < R2 > | .208428 | < 1/R > | 3.480395 | < 1/R**2 > | 49.461561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045682 |
| 2 | 1s | 23.358582 | .07584359 |
| 3 | 2s | 10.414645 | .02022802 |
| 4 | 3s | 12.729711 | -.02016551 |
| 5 | 4s | 15.489589 | .00891897 |
| 6 | 5s | 41.329935 | .00081091 |
| 7 | 4s | 103.009982 | -.00002497 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011120 | < 1/R > | 16.590421 | < 1/R**2 > | 554.570862 |
Total Energy= -419.97019240 a.u.
Kinetic Energy= 419.92218790 a.u.
Potential Energy= -839.89238030 a.u.
Virial Ratio = -2.00011432